N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide

C12H11FN2OS — CID 118437757

IUPACN-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide
SMILESCCN(C(=O)c1ccccc1F)c1cncs1
InChIInChI=1S/C12H11FN2OS/c1-2-15(11-7-14-8-17-11)12(16)9-5-3-4-6-10(9)13/h3-8H,2H2,1H3
InChIKeyPGTXVQZJJFRAAL-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.95
Rot. Bonds3

About N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide

N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide (PubChem CID 118437757) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide
PubChem CID118437757
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide
SMILESCCN(C(=O)c1ccccc1F)c1cncs1
InChIInChI=1S/C12H11FN2OS/c1-2-15(11-7-14-8-17-11)12(16)9-5-3-4-6-10(9)13/h3-8H,2H2,1H3
InChIKeyPGTXVQZJJFRAAL-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide
CID 1175983
N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide
CID 67278413
3-amino-N-ethyl-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 105069177
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 7294762
N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide
CID 167484906
N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 35180799
2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62786731
3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
CID 106544595
2-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110715660
N-(3-amino-3-oxoprop-1-en-2-yl)-N-ethyl-2-fluorobenzamide
CID 175462832
N,N-diethyl-1,3-thiazol-5-amine;ethane
CID 142842750
2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide
CID 835182

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide (CID 118437757) is N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide is CCN(C(=O)c1ccccc1F)c1cncs1.
What is the InChIKey of N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide?
The InChIKey is PGTXVQZJJFRAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-2-15(11-7-14-8-17-11)12(16)9-5-3-4-6-10(9)13/h3-8H,2H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide?
N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 118437757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).